SCHEMBL5354574

SCHEMBL5354574

CC(=Nc1cccc2ccccc12)c1cccc(C(C)=Nc2cccc3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
POLB P06746 1/20 0.43
AGTR1 P30556 1/20 0.43
KMT2A Q03164 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5358995 1.00 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6419075 0.97 POLB (0.45) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5603768 0.97 POLB (0.45) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5354775 0.92 POLB (0.45) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5354773 0.92 POLB (0.45) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14280783 0.86 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14444799 0.85 SIGMAR1 (0.39) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7053624 0.85 SIGMAR1 (0.48) SIGMAR1POLBAGTR1KMT2AF2
SCHEMBL7053627 0.85 SIGMAR1 (0.48) SIGMAR1POLBAGTR1KMT2AF2
SCHEMBL5845665 0.85 SLC22A2 (0.39) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238764-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2007-07-03 US disclosed
US-7037988-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2006-05-02 US disclosed
US-20050059786-A1 Process for the co-oligomerisation of ethylene and alpha olefins DE BOER ERIC JOHANNES MARIA (NL) 2005-03-17 US disclosed
EP-1322576-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-07-02 EP disclosed
US-20020128409-A1 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY 2002-09-12 US disclosed
WO-2002028805-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-04-11 WO disclosed
EP-1059313-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound-olefin copolymer and process for its production by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-13 EP disclosed